Table 1. Selected Bond Distances (Å) and Angles (°) Found in the Crystal Structures of [3]PF6, [5](PF6)2, [6]OTf, [7](OTf)·MeOH, and [8](OTf)2.
| compound | [3]+b | [5]2+c | [6]+b | [7]+ | [8]2+b |
|---|---|---|---|---|---|
| M–N1 | 2.098(9) | 2.146(8) | 2.089(7) | 2.123(9) | 2.078(2) |
| M–N3 | 2.031(9) | 2.023(8) | 2.033(6) | 2.027(10) | 2.065(2) |
| M–N4 | 2.022(8) | 2.020(8) | 2.031(7) | 2.012(9) | 1.991(2) |
| M–N6 | 2.102(9) | 2.180(8) | 2.051(6) | 2.089(11) | 1.977(2) |
| M–S1 | 2.207(2) | 2.214(2) | 2.192(3) | ||
| M–Cl1 | 2.430(2) | 2.421(2) | 2.456(3) | ||
| C1–O2–C20 | 124.9(7) | 127.1(10) | |||
| C5–N2–C6 | 135.5(9) | 132.0(5) | 134.9(7) | 136.6(10) | 130.3(3) |
| C15–N5–C16 | 130.3(3) | 132.5(9) | 127.8(7) | 131.6(11) | 132.5(3) |
| N1–M–N4 | 172.5(3) | 165.3(3) | 171.2(3) | 168.6(4) | 162.15(10) |
| N3–M–N6 | 165.1(3) | 167.7(3) | 169.8(3) | 173.4(8) | 165.34(10) |
| τ4a | 0.1(6) | 0.1(9) | 0.1(3) | 0.1(3) | 0.2(3) |
| distortion | 10.8(4) | 16.6(4) | 1.2(2) | 1.4(0) | 20.8(9) |
a
The coordination angles N1–M1–N4
and N3–M1–N6 were used to calculate τ4.39
 |
b
Consists of two crystallographically independent formular units for the structure. The bond distance and angles are given for molecule A.
c
Consists of four crystallographically independent formular units for the structure. The bond distance and angles are given for molecule A.